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SMILES: Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50563322   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
13n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-C


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
14n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
18n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
109n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.77E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.90E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.59E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50563322
PNG
(CHEMBL4777349)
Show SMILES Clc1cncc(-c2cc3ccccc3o2)c1N1CCC2(CCNC2=O)CC1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.09E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair